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Substance Name: Benzoic acid, p-nitro-, chloroacetylmethyl ester
RN: 62522-67-2
InChIKey: VKOAHTIIUBWKOP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H8-Cl-N-O5

Molecular Weight

  • 257.628
 
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Names and Synonyms

Synonyms

  • BRN 2288167
  • p-Nitrobenzoic acid chloroacetyl methyl ester

Systematic Name

  • Benzoic acid, p-nitro-, chloroacetylmethyl ester

Registry Numbers

CAS Registry Number

  • 62522-67-2

System Generated Number

  • 0062522672

Structure Descriptors

InChI

1S/C10H8ClNO5/c11-5-9(13)6-17-10(14)7-1-3-8(4-2-7)12(15)16/h1-4H,5-6H2

InChIKey

VKOAHTIIUBWKOP-UHFFFAOYSA-N

Smiles

c1(C(OCC(CCl)=O)=O)ccc([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.